Designing and Tuning the Electronic Structure of Nickel–Vanadium Layered Double Hydroxides for Highly Efficient Oxygen Evolution Electrocatalysis

Despite the considerable efforts in advancing nonprecious-metal candidates as oxygen evolution reaction (OER) electrocatalysts, cost-effective production of efficient and stable catalysts via simple synthesis routes remains to be realized. We report on experimental density functional theory (DFT) guidelines nickel (Ni)–vanadium (V) layered double hydroxides (LDHs) prepare an optimal electrocatalyst by changing its composition ratio. The optimized Ni0.75V0.25 LDH exhibits ultralow overpotentials 200 292 mV at current densities 10 400 mA cm–2, respectively, a long-term durability more than 100 h extremely low Tafel slope 48.3 dec–1. These findings can provide guidance for facile design state-of-the-art water oxidation using LDHs large-scale practical applications. enhanced catalytic performance attributed lower hydrogen desorption energy presence many open O sites, which promote initiation OER reaction.